SCHEMBL6605595

SCHEMBL6605595

COc1ccc2nccc(CCC[C@@H]3CCN(CCSc4ccnnc4)C[C@@H]3CO)c2c1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.44
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6609483 0.96 KCNH2 (0.40) KCNH2MTNR1AMTNR1B
SCHEMBL6605216 0.92 KCNH2 (0.47) KCNH2MTNR1AMTNR1B
SCHEMBL6608723 0.92 KCNH2 (0.46) KCNH2MTNR1AMTNR1B
SCHEMBL7725106 0.91 KCNH2 (0.46) KCNH2MTNR1AMTNR1B
SCHEMBL7733113 0.91 KCNH2 (0.46) KCNH2MTNR1AMTNR1B
SCHEMBL7733108 0.91 KCNH2 (0.46) KCNH2MTNR1AMTNR1B
SCHEMBL6609327 0.90 KCNH2 (0.45) KCNH2
SCHEMBL6605821 0.90 KCNH2 (0.48) KCNH2MTNR1AMTNR1B
SCHEMBL7728328 0.90 KCNH2 (0.56) KCNH2
SCHEMBL6606513 0.89 KCNH2 (0.46) KCNH2MTNR1AMTNR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218370-B1 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2004-12-08 EP disclosed
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US disclosed